Benzenebutanoic acid, sodium salt


Chemical Name: Benzenebutanoic acid, sodium salt
CAS Number: 1716-12-7
Product Number: AG00AOJN(AGN-PC-0Q9YPB)
Synonyms:
MDL No:
Molecular Formula: C10H11NaO2
Molecular Weight: 186.1829

Identification/Properties


Computed Properties
Molecular Weight:
186.186g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
186.066g/mol
Monoisotopic Mass:
186.066g/mol
Topological Polar Surface Area:
40.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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